2V3

6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one


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Chemical Component Summary

Name6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one
Identifiers6-cyclopropyl-2-[3-[5-[[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino]-1-methyl-6-oxidanylidene-pyridin-3-yl]-2-(hydroxymethyl)phenyl]-8-fluoranyl-isoquinolin-1-one
FormulaC36 H37 F N6 O3
Molecular Weight620.716
TypeNON-POLYMER
Isomeric SMILESCCN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7
InChIInChI=1S/C36H37FN6O3/c1-3-41-13-15-42(16-14-41)27-9-10-33(38-20-27)39-31-19-26(21-40(2)35(31)45)28-5-4-6-32(29(28)22-44)43-12-11-24-17-25(23-7-8-23)18-30(37)34(24)36(43)46/h4-6,9-12,17-21,23,44H,3,7-8,13-16,22H2,1-2H3,(H,38,39)
InChIKeyGOXMNRJCRDHRBQ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count83
Chiral Atom Count0
Bond Count89
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL3352876
PubChem 46909487
ChEMBL CHEMBL3352876